2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methyl-propanamide CAS Name: 2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-methyl-propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C20H22N4O2S/c1-4-12-24-18(17-11-8-13-26-17)21-22-20(24)27-15(2)19(25)23(3)14-16-9-6-5-7-10-16/h4-11,13,15H,1,12,14H2,2-3H3